ICODE-ADC/lammps
4
0
Fork 0
Code Issues Pull Requests Actions Packages Projects Releases Wiki Activity

Add Install_conda doc

Browse Source
This commit is contained in:
Ryan S. Elliott
2019-11-10 17:49:15 -06:00
parent 90729ebe25
commit 02791e0b4d
5 changed files with 58 additions and 112 deletions
Download Patch File Download Diff File Expand all files Collapse all files

1
doc/src/Install.rst
View File

@ -15,6 +15,7 @@ need the source code.
Install_linux
Install_mac
Install_windows
Install_conda
Install_tarball
Install_git

53
doc/src/Install_conda.rst Normal file
View File

@ -0,0 +1,53 @@
Download an executable for Linux or Mac via Conda
=================================================
Binaries are available for macOS or Linux via `Conda <conda_>`_.
First, one must setup the Conda package manager on your system. Follow the
instructions to install `Miniconda <mini_conda_install_>`_, then create a conda
environment (named `my-lammps-env` or whatever you prefer) for your lammps
install:
.. parsed-literal::
% conda config --add channels conda-forge
% conda create -n my-lammps-env
Then, you can install lammps on your system with the following command:
.. parsed-literal::
% conda activate my-lammps-env
% conda install lammps
The LAMMPS binary is built with the :ref:`KIM package <kim>` which
results in Conda also installing the `kim-api` binaries when LAMMPS is
installed. In order to use potentials from `openkim.org <openkim_>`_, you can
install the `openkim-models` package
.. parsed-literal::
% conda install openkim-models
If you have problems with the installation you can post issues to
`this link <conda_forge_lammps_>`_.
.. _conda_forge_lammps: https://github.com/conda-forge/lammps-feedstock/issues
Thanks to Jan Janssen (Max-Planck-Institut für Eisenforschung) for setting
up the Conda capability.
.. _openkim: https://openkim.org
.. _conda: https://docs.conda.io/en/latest/index.html
.. _mini_conda_install: https://docs.conda.io/en/latest/miniconda.html
.. _lws: http://lammps.sandia.gov
.. _ld: Manual.html
.. _lc: Commands_all.html

8
doc/src/Install_mac.rst
View File

@ -2,9 +2,10 @@ Download an executable for Mac
==============================
LAMMPS can be downloaded, built, and configured for OS X on a Mac with
`Homebrew <homebrew_>`_. The following LAMMPS packages are unavailable at this
time because of additional needs not yet met: GPU, KOKKOS, LATTE, MSCG,
MESSAGE, MPIIO POEMS VORONOI.
`Homebrew <homebrew_>`_. (Alternatively, see the install instructions for
:doc:`Download an executable via Conda <Install_conda>`.) The following LAMMPS
packages are unavailable at this time because of additional needs not yet met:
GPU, KOKKOS, LATTE, MSCG, MESSAGE, MPIIO POEMS VORONOI.
After installing Homebrew, you can install LAMMPS on your system with
the following commands:
@ -48,7 +49,6 @@ up the Homebrew capability.
.. _lws: http://lammps.sandia.gov
.. _ld: Manual.html
.. _lc: Commands_all.html

65
doc/txt/Install.txt
View File

@ -1,65 +0,0 @@
"Previous Section"_Intro.html - "LAMMPS WWW Site"_lws - "LAMMPS
Documentation"_ld - "LAMMPS Commands"_lc - "Next Section"_Build.html
:c
:link(lws,http://lammps.sandia.gov)
:link(ld,Manual.html)
:link(lc,Commands_all.html)
:line
Install LAMMPS :h2
You can download LAMMPS as an executable or as source code.
With source code, you also have to "build LAMMPS"_Build.html. But you
have more flexibility as to what features to include or exclude in the
build. If you plan to "modify or extend LAMMPS"_Modify.html, then you
need the source code.
<!-- RST
.. toctree::
:maxdepth: 1
Install_linux
Install_mac
Install_windows
Install_tarball
Install_git
Install_svn
Install_patch
END_RST -->
<!-- HTML_ONLY -->
"Download an executable for Linux"_Install_linux.html
"Download an executable for Mac"_Install_mac.html
"Download an executable for Windows"_Install_windows.html :all(b)
"Download source as a tarball"_Install_tarball.html
"Donwload source via Git"_Install_git.html
"Donwload source via SVN"_Install_svn.html
"Install patch files"_Install_patch.html :all(b)
<!-- END_HTML_ONLY -->
These are the files and sub-directories in the LAMMPS distribution:
README: text file
LICENSE: GNU General Public License (GPL)
bench: benchmark problems
cmake: CMake build files
doc: documentation
examples: simple test problems
lib: additional provided or external libraries
potentials: interatomic potential files
python: Python wrapper on LAMMPS
src: source files
tools: pre- and post-processing tools :tb(s=:,a=l)
You will have all of these if you download source. You will only have
some of them if you download executables, as explained on the pages
listed above.

43
doc/txt/Install_mac.txt
View File

@ -1,43 +0,0 @@
"Higher level section"_Install.html - "LAMMPS WWW Site"_lws - "LAMMPS
Documentation"_ld - "LAMMPS Commands"_lc :c
:link(lws,http://lammps.sandia.gov)
:link(ld,Manual.html)
:link(lc,Commands_all.html)
:line
Download an executable for Mac :h3
LAMMPS can be downloaded, built, and configured for OS X on a Mac with
"Homebrew"_homebrew. The following LAMMPS packages are unavailable at this
time because of additional needs not yet met: GPU, KOKKOS, LATTE, MSCG,
MESSAGE, MPIIO POEMS VORONOI.
After installing Homebrew, you can install LAMMPS on your system with
the following commands:
% brew install lammps :pre
This will install the executables "lammps_serial" and "lammps_mpi", as well as
the LAMMPS "doc", "potentials", "tools", "bench", and "examples" directories.
Once LAMMPS is installed, you can test the installation with the
Lennard-Jones benchmark file:
% brew test lammps -v :pre
The LAMMPS binary is built with the "KIM package"_Build_extras#kim which
results in Homebrew also installing the `kim-api` binaries when LAMMPS is
installed. In order to use potentials from "openkim.org"_openkim, you can
install the `openkim-models` package
% brew install openkim-models :pre
If you have problems with the installation you can post issues to
"this link"_homebrew.
Thanks to Derek Thomas (derekt at cello.t.u-tokyo.ac.jp) for setting
up the Homebrew capability.
:link(homebrew,https://github.com/Homebrew/homebrew-core/issues)
:link(openkim,https://openkim.org)